N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide

C17H21NO3 — CID 56757577

IUPACN-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1occc1C)C(C)C
InChIInChI=1S/C17H21NO3/c1-12(2)18(17(19)16-13(3)9-10-21-16)11-14-7-5-6-8-15(14)20-4/h5-10,12H,11H2,1-4H3
InChIKeyWMRDENBPMWHQTR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.65
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide

N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide (PubChem CID 56757577) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
PubChem CID56757577
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1occc1C)C(C)C
InChIInChI=1S/C17H21NO3/c1-12(2)18(17(19)16-13(3)9-10-21-16)11-14-7-5-6-8-15(14)20-4/h5-10,12H,11H2,1-4H3
InChIKeyWMRDENBPMWHQTR-UHFFFAOYSA-N
XLogP3.65
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 61038775
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 60833584
2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61181869
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
N-[3-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111775291
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81116677
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067664

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide (CID 56757577) is N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide is COc1ccccc1CN(C(=O)c1occc1C)C(C)C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is WMRDENBPMWHQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)18(17(19)16-13(3)9-10-21-16)11-14-7-5-6-8-15(14)20-4/h5-10,12H,11H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 56757577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).